2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one

C12H13N3O — CID 12843617

IUPAC2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCC2)nc2ccccn12
InChIInChI=1S/C12H13N3O/c16-12-9-11(14-6-3-4-7-14)13-10-5-1-2-8-15(10)12/h1-2,5,8-9H,3-4,6-7H2
InChIKeyKLLCZQZLTXGJHY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.29
Rot. Bonds1

About 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 12843617) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID12843617
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCC2)nc2ccccn12
InChIInChI=1S/C12H13N3O/c16-12-9-11(14-6-3-4-7-14)13-10-5-1-2-8-15(10)12/h1-2,5,8-9H,3-4,6-7H2
InChIKeyKLLCZQZLTXGJHY-UHFFFAOYSA-N
XLogP1.29
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
4-(Dibutylamino)pyrido[1,2-a]pyrimidin-2-one
CID 435037
2-(Diethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 340742
4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 4-oxo-2-(1-pyrrolidinyl)-
CID 794781
2-(3-fluoroazetidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 171995344
4-(Dipropylamino)pyrido[1,2-a]pyrimidin-2-one
CID 338875
2-(Pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 45851233
2-(Dimethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12843613
2-Piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 14174090
3-bromo-2-pyrrolidin-1-yl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 68853358
Pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 70400858
2-(4-Pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 117774822

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 12843617) is 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCCC2)nc2ccccn12.
What is the InChIKey of 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KLLCZQZLTXGJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-9-11(14-6-3-4-7-14)13-10-5-1-2-8-15(10)12/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 12843617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).